AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for E3 ubiquitin-protein ligase ARIH1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q9Y4X5

UPID:

ARI1_HUMAN

Alternative names:

H7-AP2; HHARI; Monocyte protein 6; Protein ariadne-1 homolog; UbcH7-binding protein; UbcM4-interacting protein; Ubiquitin-conjugating enzyme E2-binding protein 1

Alternative UPACC:

Q9Y4X5; B2R6U3; O76026; Q9H3T6; Q9UEN0; Q9UP39

Background:

E3 ubiquitin-protein ligase ARIH1, known by alternative names such as HHARI and UbcH7-binding protein, plays a pivotal role in protein ubiquitination. It functions uniquely by collaborating with cullin-RING ubiquitin ligase complexes, initiating the ubiquitination of their substrates. This process is crucial for protein degradation and regulation. ARIH1's activity is notably enhanced upon binding to neddylated cullin-RING complexes, showcasing its dynamic regulatory capabilities in cellular processes.

Therapeutic significance:

Understanding the role of E3 ubiquitin-protein ligase ARIH1 could open doors to potential therapeutic strategies. Its involvement in protein translation in response to DNA damage, through the ubiquitination of EIF4E2, highlights its significance in cellular stress responses. This intricate mechanism offers a promising avenue for exploring novel drug targets, particularly in diseases where protein homeostasis and stress responses are disrupted.

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